SCHEMBL8262126

SCHEMBL8262126

O=C(NO)c1cnc(N2CCc3[nH]c4ccc(F)cc4c3CC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.60
HDAC1 Q13547 5/20 0.60
BAZ2B Q9UIF8 1/20 0.49
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
APAF1 O14727 1/20 0.46
KDM1A O60341 4/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CFTR P13569 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2975186 0.94 HDAC6 (0.60) HDAC6HDAC1BAZ2BHDAC3HDAC4
SCHEMBL2978179 0.94 HDAC1 (0.65) HDAC6HDAC1BAZ2BAPAF1ALDH1A1
SCHEMBL2978941 0.86 HDAC6 (0.56) HDAC6HDAC1BAZ2BHDAC3HDAC4
SCHEMBL2966004 0.86 HDAC6 (0.55) HDAC6HDAC1BAZ2BHDAC3HDAC4
SCHEMBL2976283 0.86 HDAC6 (0.50) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8259923 0.85 HDAC1 (0.59) HDAC6HDAC1BAZ2BHDAC3HDAC4
SCHEMBL8260682 0.85 HDAC6 (0.57) HDAC6HDAC1BAZ2BHDAC3HDAC4
SCHEMBL2963876 0.84 HDAC1 (0.54) HDAC6HDAC1BAZ2BHDAC3HDAC4
SCHEMBL2979006 0.82 BAZ2B (0.55) HDAC6HDAC1BAZ2BHDAC3HDAC4
SCHEMBL2963961 0.82 BAZ2B (0.54) HDAC6HDAC1BAZ2BHDAC3HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO disclosed